Results: 1524
Marcel Swart, Miquel Solà, F. Matthias Bickelhaupt
Inter- and intramolecular dispersion interactions
J. Comput. Chem., 2011, 32, 1117-1127
DOI: 10.1002/jcc.21693
Cina Foroutan-Nejad, Shant Shahbazian, Ferran Feixas, Parviz Rashidi-Ranjbar, Miquel Solà
A dissected ring current model for assessing magnetic aromaticity: A general approach for both organic and inorganic rings
J. Comput. Chem., 2011, 32, 2422-2431
DOI: 10.1002/jcc.21824
Wouter Heyndrickx, Pedro Salvador, Patrick Bultinck, Miquel Solà, Eduard Matito
Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices
J. Comput. Chem., 2011, 32, 386-395
DOI: 10.1002/jcc.21621
Ramon Carbó-Dorca, Emili Besalú, Luz Dary Mercado
Communications on quantum similarity, part 3: A geometric-quantum similarity molecular superposition algorithm
J. Comput. Chem., 2011, 32, 582-599
DOI: 10.1002/jcc.21644
Heribert Reis, Oleksander Loboda, Aggelos Avramopoulos, Manthos G. Papadopoulos, Bernard Kirtman, Josep M. Luis, Robert Zaleśny
Electronic and vibrational linear and nonlinear polarizabilities of Li@C60 and [Li@C60]+
J. Comput. Chem., 2011, 32, 908-914
DOI: 10.1002/jcc.21674
Emili Besalú, Ramon Carbó-Dorca
The general Gaussian product theorem
J. Math. Chem., 2011, 49, 1769-1784
DOI: 10.1007/s10910-011-9857-9
Emili Besalú, Ramon Carbó-Dorca
n-Dimensional Euclidean space Gaussian enfoldment
J. Math. Chem., 2011, 49, 2231-2243
DOI: 10.1007/s10910-011-9882-8
Ramon Carbó-Dorca, Emili Besalú
Geometry of n-dimensional Euclidean space Gaussian enfoldments
J. Math. Chem., 2011, 49, 2244-2249
DOI: 10.1007/s10910-011-9883-7
Joaquim Chaves, J. M. Barroso, Emili Besalú
An iterative perturbation theory with a Hamiltonian modifier
J. Math. Chem., 2011, 49, 666-686
DOI: 10.1007/s10910-010-9762-7
Halina Szatyłowicz, Tadeusz M. Krygowski, Marcin Palusiak, Jordi Poater, Miquel Solà
Routes of -Electron Delocalization in 4-Substituted-1,2-benzoquinones
J. Org. Chem., 2011, 76, 550-556
DOI: 10.1021/jo102065e